Geometry & MOs

Info

ID:	420501
PubChem CID:	135113513
Reduced:	N5O6C26H29 (1)
Stoich.:	A5B6C26D29 (1)
Weight, g/mol:	390.145868
ΔH_f, kcal/mol:	-139.32
Dipole, Da:	1.52
IP(EA), eV:	-9.05(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-1,2-oxazol-5-yl)-1-[(1S,5S)-7-(pyridin-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]propan-1-one

Drug info:

PubChemData

Smile

COC1=C2C=C(C=C1)C(=O)N3CC[C@H]([C@@H](C3)O)NC(=O)CC4=CC(=CC=C4)OCCN5C=C(CO2)N=N5

DOS

IR

Vibrations